2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide

C23H18ClN5O2S — CID 122431429

IUPAC2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide
SMILESCCOc1nc(-c2ccc(Cl)s2)nc2cc(C(=O)NCc3ccc4nccn4c3)ccc12
InChIInChI=1S/C23H18ClN5O2S/c1-2-31-23-16-5-4-15(11-17(16)27-21(28-23)18-6-7-19(24)32-18)22(30)26-12-14-3-8-20-25-9-10-29(20)13-14/h3-11,13H,2,12H2,1H3,(H,26,30)
InChIKeyOFIISDOVAQFUJY-UHFFFAOYSA-N
MW463.95 g/mol
LogP4.99
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide

2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide (PubChem CID 122431429) has the molecular formula C23H18ClN5O2S and a molecular weight of 463.95 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide
PubChem CID122431429
Molecular FormulaC23H18ClN5O2S
Molecular Weight463.95 g/mol
Exact Mass463.09
IUPAC Name2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide
SMILESCCOc1nc(-c2ccc(Cl)s2)nc2cc(C(=O)NCc3ccc4nccn4c3)ccc12
InChIInChI=1S/C23H18ClN5O2S/c1-2-31-23-16-5-4-15(11-17(16)27-21(28-23)18-6-7-19(24)32-18)22(30)26-12-14-3-8-20-25-9-10-29(20)13-14/h3-11,13H,2,12H2,1H3,(H,26,30)
InChIKeyOFIISDOVAQFUJY-UHFFFAOYSA-N
XLogP4.99
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide (CID 122431429) is 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide is CCOc1nc(-c2ccc(Cl)s2)nc2cc(C(=O)NCc3ccc4nccn4c3)ccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide?
The InChIKey is OFIISDOVAQFUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2S/c1-2-31-23-16-5-4-15(11-17(16)27-21(28-23)18-6-7-19(24)32-18)22(30)26-12-14-3-8-20-25-9-10-29(20)13-14/h3-11,13H,2,12H2,1H3,(H,26,30).
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide?
2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide has a molecular weight of 463.95 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 122431429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).